3-iodo-N-(6-methoxy-2-pyridinyl)-N-methylbenzamide

C14H13IN2O2 — CID 4791682

IUPAC3-iodo-N-(6-methoxy-2-pyridinyl)-N-methylbenzamide
SMILESCOc1cccc(N(C)C(=O)c2cccc(I)c2)n1
InChIInChI=1S/C14H13IN2O2/c1-17(12-7-4-8-13(16-12)19-2)14(18)10-5-3-6-11(15)9-10/h3-9H,1-2H3
InChIKeyJJEMAJYRUWTVEH-UHFFFAOYSA-N
MW368.17 g/mol
LogP2.97
Rot. Bonds3

About 3-iodo-N-(6-methoxy-2-pyridinyl)-N-methylbenzamide

3-iodo-N-(6-methoxy-2-pyridinyl)-N-methylbenzamide (PubChem CID 4791682) has the molecular formula C14H13IN2O2 and a molecular weight of 368.17 g/mol. Its IUPAC name is 3-iodo-N-(6-methoxy-2-pyridinyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-iodo-N-(6-methoxy-2-pyridinyl)-N-methylbenzamide
PubChem CID4791682
Molecular FormulaC14H13IN2O2
Molecular Weight368.17 g/mol
Exact Mass368.00
IUPAC Name3-iodo-N-(6-methoxy-2-pyridinyl)-N-methylbenzamide
SMILESCOc1cccc(N(C)C(=O)c2cccc(I)c2)n1
InChIInChI=1S/C14H13IN2O2/c1-17(12-7-4-8-13(16-12)19-2)14(18)10-5-3-6-11(15)9-10/h3-9H,1-2H3
InChIKeyJJEMAJYRUWTVEH-UHFFFAOYSA-N
XLogP2.97
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.17
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-iodo-N-(6-methoxy-2-pyridinyl)-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-(6-methoxy-2-pyridinyl)-N-methylbenzamide?
The IUPAC name of 3-iodo-N-(6-methoxy-2-pyridinyl)-N-methylbenzamide (CID 4791682) is 3-iodo-N-(6-methoxy-2-pyridinyl)-N-methylbenzamide.
What is the SMILES notation for 3-iodo-N-(6-methoxy-2-pyridinyl)-N-methylbenzamide?
The canonical SMILES for 3-iodo-N-(6-methoxy-2-pyridinyl)-N-methylbenzamide is COc1cccc(N(C)C(=O)c2cccc(I)c2)n1.
What is the InChIKey of 3-iodo-N-(6-methoxy-2-pyridinyl)-N-methylbenzamide?
The InChIKey is JJEMAJYRUWTVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN2O2/c1-17(12-7-4-8-13(16-12)19-2)14(18)10-5-3-6-11(15)9-10/h3-9H,1-2H3.
What are the key properties of 3-iodo-N-(6-methoxy-2-pyridinyl)-N-methylbenzamide?
3-iodo-N-(6-methoxy-2-pyridinyl)-N-methylbenzamide has a molecular weight of 368.17 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-(6-methoxy-2-pyridinyl)-N-methylbenzamide is sourced from PubChem (CID 4791682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).